6-Quinoxalinamine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02025 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 6-Quinoxalinamine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | 15 | 16 | |
|---|---|---|---|---|---|
| 12 | 7.436 | 9.431 | 0 | 0 | 2.657 |
| 13 | 0 | 7.898 | 0 | 0 | 0 |
| 14 | 0 | 0 | 8.69 | 2.056 | 0 |
| 15 | 0 | 0 | 0 | 8.575 | 0 |
| 16 | 0 | 0 | 0 | 0 | 7.203 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.20099 | 0.916641 | standard |
| 7.20531 | 0.916644 | standard |
| 7.42556 | 0.452543 | standard |
| 7.42978 | 0.458245 | standard |
| 7.44121 | 0.486537 | standard |
| 7.44554 | 0.481093 | standard |
| 7.89037 | 0.851909 | standard |
| 7.90608 | 0.796426 | standard |
| 8.57391 | 0.962304 | standard |
| 8.57699 | 1.00037 | standard |
| 8.68874 | 0.992616 | standard |
| 8.69194 | 0.954016 | standard |
| 7.17116 | 0.509808 | standard |
| 7.22809 | 0.886966 | standard |
| 7.49776 | 0.564005 | standard |
| 7.558 | 0.45515 | standard |
| 7.81208 | 0.804699 | standard |
| 8.04057 | 0.318995 | standard |
| 8.59573 | 1.0 | standard |
| 8.67011 | 0.999605 | standard |
| 7.18054 | 0.641153 | standard |
| 7.22175 | 0.878127 | standard |
| 7.32597 | 0.3727 | standard |
| 7.36708 | 0.218726 | standard |
| 7.48179 | 0.560931 | standard |
| 7.52337 | 0.469644 | standard |
| 7.68897 | 0.0288021 | standard |
| 7.83339 | 0.882812 | standard |
| 7.98886 | 0.458925 | standard |
| 8.55886 | 0.680712 | standard |
| 8.58954 | 0.999794 | standard |
| 8.67631 | 1.0 | standard |
| 8.70685 | 0.681299 | standard |
| 7.18636 | 0.708174 | standard |
| 7.21786 | 0.894797 | standard |
| 7.3549 | 0.378276 | standard |
| 7.38647 | 0.272984 | standard |
| 7.47223 | 0.551484 | standard |
| 7.50373 | 0.47424 | standard |
| 7.84693 | 0.885211 | standard |
| 7.96413 | 0.543073 | standard |
| 8.56299 | 0.748058 | standard |
| 8.58625 | 1.0 | standard |
| 8.6795 | 0.999855 | standard |
| 8.70275 | 0.74784 | standard |
| 7.1883 | 0.733931 | standard |
| 7.21641 | 0.90065 | standard |
| 7.36432 | 0.384316 | standard |
| 7.39248 | 0.29325 | standard |
| 7.46871 | 0.546709 | standard |
| 7.49688 | 0.474797 | standard |
| 7.85179 | 0.886374 | standard |
| 7.9561 | 0.572991 | standard |
| 8.56447 | 0.772517 | standard |
| 8.58518 | 1.0 | standard |
| 8.68066 | 0.999883 | standard |
| 8.70138 | 0.772345 | standard |
| 7.1898 | 0.754588 | standard |
| 7.21515 | 0.905814 | standard |
| 7.37185 | 0.391079 | standard |
| 7.39725 | 0.310411 | standard |
| 7.46589 | 0.542529 | standard |
| 7.49129 | 0.475316 | standard |
| 7.85585 | 0.88576 | standard |
| 7.94986 | 0.598328 | standard |
| 8.56551 | 0.791758 | standard |
| 8.58432 | 0.99916 | standard |
| 8.68153 | 1.00002 | standard |
| 8.70021 | 0.793116 | standard |
| 7.1966 | 0.846423 | standard |
| 7.20941 | 0.925195 | standard |
| 7.40465 | 0.428819 | standard |
| 7.41742 | 0.392639 | standard |
| 7.45174 | 0.517791 | standard |
| 7.46461 | 0.476604 | standard |
| 7.87574 | 0.873269 | standard |
| 7.92284 | 0.71595 | standard |
| 8.5706 | 0.889022 | standard |
| 8.58007 | 1.00005 | standard |
| 8.68578 | 1.00002 | standard |
| 8.69525 | 0.888988 | standard |
| 7.19879 | 0.875725 | standard |
| 7.20738 | 0.928981 | standard |
| 7.4152 | 0.443503 | standard |
| 7.42375 | 0.421548 | standard |
| 7.44663 | 0.507323 | standard |
| 7.45517 | 0.476892 | standard |
| 7.88293 | 0.864422 | standard |
| 7.91436 | 0.756975 | standard |
| 8.57229 | 0.924799 | standard |
| 8.57857 | 1.00015 | standard |
| 8.68727 | 1.00013 | standard |
| 8.69355 | 0.924784 | standard |
| 7.19994 | 0.888299 | standard |
| 7.20637 | 0.928543 | standard |
| 7.42043 | 0.450879 | standard |
| 7.42676 | 0.436014 | standard |
| 7.44392 | 0.499475 | standard |
| 7.45036 | 0.474819 | standard |
| 7.8866 | 0.856431 | standard |
| 7.9102 | 0.775216 | standard |
| 8.57311 | 0.943571 | standard |
| 8.57773 | 1.0 | standard |
| 8.68801 | 0.994912 | standard |
| 8.69275 | 0.937897 | standard |
| 7.20062 | 0.901294 | standard |
| 7.2057 | 0.933606 | standard |
| 7.42348 | 0.456249 | standard |
| 7.42857 | 0.445492 | standard |
| 7.44231 | 0.496073 | standard |
| 7.44751 | 0.474902 | standard |
| 7.88888 | 0.854887 | standard |
| 7.90772 | 0.789376 | standard |
| 8.57355 | 0.954664 | standard |
| 8.57727 | 1.00027 | standard |
| 8.68847 | 0.993915 | standard |
| 8.69231 | 0.947725 | standard |
| 7.20099 | 0.91664 | standard |
| 7.20531 | 0.916643 | standard |
| 7.42556 | 0.452543 | standard |
| 7.42978 | 0.458245 | standard |
| 7.44121 | 0.486537 | standard |
| 7.44554 | 0.481093 | standard |
| 7.89037 | 0.851906 | standard |
| 7.90608 | 0.796422 | standard |
| 8.57391 | 0.962303 | standard |
| 8.57699 | 1.00037 | standard |
| 8.68874 | 0.992615 | standard |
| 8.69194 | 0.954016 | standard |
| 7.20133 | 0.917144 | standard |
| 7.20503 | 0.918129 | standard |
| 7.42693 | 0.452181 | standard |
| 7.43068 | 0.458131 | standard |
| 7.44041 | 0.484026 | standard |
| 7.44416 | 0.478415 | standard |
| 7.89146 | 0.849028 | standard |
| 7.90494 | 0.802005 | standard |
| 8.57408 | 0.957875 | standard |
| 8.57682 | 0.990998 | standard |
| 8.68903 | 1.00016 | standard |
| 8.69166 | 0.967621 | standard |
| 7.20147 | 0.918065 | standard |
| 7.20493 | 0.918068 | standard |
| 7.42752 | 0.454179 | standard |
| 7.43098 | 0.460025 | standard |
| 7.44011 | 0.484263 | standard |
| 7.44357 | 0.478729 | standard |
| 7.89185 | 0.847757 | standard |
| 7.90445 | 0.80385 | standard |
| 8.57417 | 0.95929 | standard |
| 8.57673 | 0.990213 | standard |
| 8.68913 | 1.00008 | standard |
| 8.69156 | 0.969751 | standard |
| 7.20157 | 0.929889 | standard |
| 7.20473 | 0.92989 | standard |
| 7.42812 | 0.460879 | standard |
| 7.43128 | 0.466713 | standard |
| 7.43981 | 0.48699 | standard |
| 7.44308 | 0.481256 | standard |
| 7.89225 | 0.853423 | standard |
| 7.90405 | 0.811917 | standard |
| 8.57427 | 0.970914 | standard |
| 8.57663 | 1.0 | standard |
| 8.68921 | 0.999998 | standard |
| 8.69158 | 0.970912 | standard |
| 7.20176 | 0.938179 | standard |
| 7.20464 | 0.93818 | standard |
| 7.4289 | 0.466171 | standard |
| 7.43178 | 0.472111 | standard |
| 7.43941 | 0.492759 | standard |
| 7.44229 | 0.487083 | standard |
| 7.89294 | 0.862703 | standard |
| 7.90336 | 0.825313 | standard |
| 8.57434 | 0.988295 | standard |
| 8.57655 | 0.988301 | standard |
| 8.68931 | 1.00001 | standard |
| 8.6914 | 1.0 | standard |
| 7.20186 | 0.930973 | standard |
| 7.20454 | 0.930974 | standard |
| 7.4293 | 0.463188 | standard |
| 7.43198 | 0.469015 | standard |
| 7.43921 | 0.488427 | standard |
| 7.4419 | 0.482845 | standard |
| 7.89314 | 0.85227 | standard |
| 7.90316 | 0.817212 | standard |
| 8.57444 | 0.986639 | standard |
| 8.57645 | 0.986643 | standard |
| 8.68941 | 1.0 | standard |
| 8.69129 | 0.999995 | standard |
| 7.20186 | 0.928916 | standard |
| 7.20445 | 0.928917 | standard |
| 7.42959 | 0.462652 | standard |
| 7.43219 | 0.468611 | standard |
| 7.43901 | 0.487006 | standard |
| 7.4416 | 0.481286 | standard |
| 7.89344 | 0.852241 | standard |
| 7.90286 | 0.818917 | standard |
| 8.57455 | 1.00001 | standard |
| 8.57634 | 1.00002 | standard |
| 8.68939 | 0.98607 | standard |
| 8.69131 | 0.986066 | standard |
| 7.20214 | 0.920483 | standard |
| 7.20416 | 0.920484 | standard |
| 7.43097 | 0.467669 | standard |
| 7.43299 | 0.473625 | standard |
| 7.4382 | 0.473625 | standard |
| 7.44022 | 0.467668 | standard |
| 7.89453 | 0.829813 | standard |
| 7.90177 | 0.829813 | standard |
| 8.57472 | 0.981629 | standard |
| 8.57617 | 0.981631 | standard |
| 8.68969 | 1.00046 | standard |
| 8.69102 | 1.00046 | standard |